SCHEMBL936495

SCHEMBL936495

O=S(=O)(O)Oc1ccc2c(c1)OC[C@H](c1ccc(O)cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.65
ESR1 P03372 2/20 0.65
TTR P02766 1/20 0.65
ALOX15 P16050 6/20 0.56
ALOX12 P18054 6/20 0.56
ALOX15B O15296 3/20 0.56
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
CISD1 Q9NZ45 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
F10 P00742 3/20 0.36
CYP19A1 P11511 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19409317 0.92 ESR2 (0.67) ESR2ESR1TTRALOX15ALOX12
Aus-131 SCHEMBL936521 0.84 ESR2 (0.75) ESR2ESR1TTRALOX15ALOX12
SCHEMBL31545514 0.82 ESR1 (0.72) ESR2ESR1TTRALOX15ALOX12
SCHEMBL17594509 0.82 ESR2 (0.67) ESR2ESR1TTRALOX15ALOX12
SCHEMBL14374112 0.81 ESR2 (0.65) ESR2ESR1TTRALOX15ALOX12
Aus-131 SCHEMBL43648 0.80 ESR2 (1.00) ESR2ESR1TTRALOX15ALOX12
Aus-131 SCHEMBL2002128 0.80 ESR2 (1.00) ESR2ESR1TTRALOX15ALOX12
Aus-131 SCHEMBL29467332 0.80 ESR2 (1.00) ESR2ESR1TTRALOX15ALOX12
Aus-131 SCHEMBL677723 0.80 ESR2 (1.00) ESR2ESR1TTRALOX15ALOX12
Aus-131 SCHEMBL43647 0.80 ESR2 (1.00) ESR2ESR1TTRALOX15ALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126758-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE Société des Produits Nestlé S.A. (CH) 2023-07-06 WO claimed
US-20230204604-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE SOCIETE DES PRODUITS NESTLE S.A. (CH) 2023-06-29 US claimed
US-20220175851-A1 COMPOSITIONS, METHODS FOR REGULATING UTERINE, PLACENTAL GROWTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-09 US claimed
US-20210353611-A1 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-11-18 US claimed
US-11092591-B2 Host and intestinal microbiota derived metabolomic blood plasma signature for prior radiation injury ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2021-08-17 US claimed
EP-3852759-A2 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS Yeda Research and Development Co. Ltd (IL) 2021-07-28 EP claimed
CN-113038951-A Method of treating amyotrophic lateral sclerosis 耶达研究及发展有限公司 2021-06-25 CN claimed
US-20210088539-A1 AUTOMATED SAMPLE QUALITY ASSESSMENT METABOLON, INC. 2021-03-25 US claimed
US-10890592-B2 Automated sample quality assessment METABOLON, INC. (US) 2021-01-12 US claimed
WO-2020186161-A2 COMPOSITIONS AND METHODS FOR REGULATING UTERINE AND PLACENTAL GROWTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-17 WO claimed
WO-2020058979-A2 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-03-26 WO claimed
US-20170299573-A1 HOST AND INTESTINAL MICROBIOTA DERIVED METABOLOMIC BLOOD PLASMA SIGNATURE FOR PRIOR RADIATION INJURY ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-10-19 US claimed
WO-2016081292-A1 HOST AND INTESTINAL MICROBIOTA DERIVED METABOLOMIC BLOOD PLAMSA SIGNATURE FOR PRIOR RADIATION INJURY ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-05-26 WO claimed
CN-113038951-B Method for treating amyotrophic lateral sclerosis 耶达研究及发展有限公司 2024-04-30 CN disclosed
WO-2023229970-A1 PET FOOD COMPOSITIONS COMPRISING BETA-1,3-1,6-GLUCAN AND POLYPHENOLIC ISOFLAVONOIDS HILL'S PET NUTRITION, INC. (US) 2023-11-30 WO disclosed
US-20230372386-A1 Pet Food Compositions HILL'S PET NUTRITION, INC. 2023-11-23 US disclosed
US-20140335131-A1 PROBIOTIC PREVENTION AND TREATMENT OF COLON CANCER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-11-13 US disclosed
US-20140065132-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDER CALIFORNIA INSTITUTE OF TECHNOLOGY 2014-03-06 US disclosed
WO-2014036182-A2 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-03-06 WO disclosed
WO-2011010103-A1 METHODS AND USES IMPERIAL INNOVATIONS LIMITED (GB) 2011-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210353611-A1 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, OAT ESR2 2316/4885ESR1 4304/4885TTR 356/4885
US-20220175851-A1 COMPOSITIONS, METHODS FOR REGULATING UTERINE, PLACENTAL GROWTH PGF, FGR, VEGFA ESR2 1663/4885ESR1 3524/4885TTR 1980/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.